3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide

C12H9N3O4S — CID 141467383

IUPAC3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4S/c13-11(16)10-9(5-6-20-10)14-12(17)7-1-3-8(4-2-7)15(18)19/h1-6H,(H2,13,16)(H,14,17)
InChIKeyKTLDOLGGDXLPAY-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.01
Rot. Bonds4

About 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide

3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide (PubChem CID 141467383) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
PubChem CID141467383
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC Name3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4S/c13-11(16)10-9(5-6-20-10)14-12(17)7-1-3-8(4-2-7)15(18)19/h1-6H,(H2,13,16)(H,14,17)
InChIKeyKTLDOLGGDXLPAY-UHFFFAOYSA-N
XLogP2.01
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylthiophen-2-yl)-4-nitrobenzamide
CID 19689921
N-(4-aminothiophen-3-yl)-4-nitrobenzamide
CID 139816874
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
CID 5212421
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 6987136
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
4-nitrobenzohydrazide;hydrochloride
CID 172718286
ethyl 2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 7164073
2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
CID 3357190
4-nitro-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615339
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide (CID 141467383) is 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide is NC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is KTLDOLGGDXLPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c13-11(16)10-9(5-6-20-10)14-12(17)7-1-3-8(4-2-7)15(18)19/h1-6H,(H2,13,16)(H,14,17).
What are the key properties of 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide?
3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 141467383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).